| SpectraBase Compound ID | KTMs2v3fcMv |
|---|---|
| InChI | InChI=1S/C15H24/c1-12-7-10-15(4,11-8-12)13-6-5-9-14(13,2)3/h6-7H,5,8-11H2,1-4H3/t15-/m0/s1 |
| InChIKey | WUOZOSFJWTXTKG-HNNXBMFYSA-N |
| Mol Weight | 204.36 g/mol |
| Molecular Formula | C15H24 |
| Exact Mass | 204.187801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1OIbDYhs1aU |
|---|---|
| Name | Isobazzanene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.187800773 u |
| Formula | C15H24 |
| InChI | InChI=1S/C15H24/c1-12-7-10-15(4,11-8-12)13-6-5-9-14(13,2)3/h6-7H,5,8-11H2,1-4H3/t15-/m0/s1 |
| InChIKey | WUOZOSFJWTXTKG-HNNXBMFYSA-N |
| Molecular Weight | 204.357 g/mol |
| SMILES | C=1([C@]2(CC=C(CC2)C)C)C(CCC1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872159 |